5-(4-fluorophenyl)-1-methylindole

C15H12FN — CID 172686115

IUPAC5-(4-fluorophenyl)-1-methylindole
SMILESCn1ccc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN/c1-17-9-8-13-10-12(4-7-15(13)17)11-2-5-14(16)6-3-11/h2-10H,1H3
InChIKeyBBDQFHKFMWGRSI-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.98
Rot. Bonds1

About 5-(4-fluorophenyl)-1-methylindole

5-(4-fluorophenyl)-1-methylindole (PubChem CID 172686115) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methylindole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methylindole
PubChem CID172686115
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name5-(4-fluorophenyl)-1-methylindole
SMILESCn1ccc2cc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C15H12FN/c1-17-9-8-13-10-12(4-7-15(13)17)11-2-5-14(16)6-3-11/h2-10H,1H3
InChIKeyBBDQFHKFMWGRSI-UHFFFAOYSA-N
XLogP3.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
[3-(1-methylindol-5-yl)phenyl]methanol
CID 178203268
1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)indole
CID 137376309
5-iodo-1-methylindole
CID 11322835
1-methyl-3-(1-methylindol-5-yl)pyrazol-5-amine
CID 117325598
1-bromo-4-fluorobenzene;5-bromo-6-fluoro-1-methylindole
CID 159730483
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
CID 71029156
N-(diaminomethylidene)formamide;5-fluoro-1-methylindole;hydrochloride
CID 174361638
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 143969091
1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
bis(1-methylindol-5-yl)borinic acid
CID 140671665

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methylindole?
The IUPAC name of 5-(4-fluorophenyl)-1-methylindole (CID 172686115) is 5-(4-fluorophenyl)-1-methylindole.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methylindole?
The canonical SMILES for 5-(4-fluorophenyl)-1-methylindole is Cn1ccc2cc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 5-(4-fluorophenyl)-1-methylindole?
The InChIKey is BBDQFHKFMWGRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN/c1-17-9-8-13-10-12(4-7-15(13)17)11-2-5-14(16)6-3-11/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-methylindole?
5-(4-fluorophenyl)-1-methylindole has a molecular weight of 225.27 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methylindole is sourced from PubChem (CID 172686115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).